SCHEMBL13235547

SCHEMBL13235547

CCCCCC1CCC(C2CCC(COc3ccc(OCC)c(Cl)c3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 5/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ HTR2C P28335 4/20 0.31
▸ HTR2B P41595 4/20 0.31
▸ HTR2A P28223 2/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.30
▸ CNR2 P34972 2/20 0.30
▸ HPGD P15428 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13235561 1.00 GRM2 (0.33) GRM2RIPK1HTR2CHTR2BHTR2A
SCHEMBL13235542 0.96 GRM2 (0.34) GRM2RIPK1HTR2CHTR2BHTR2A
SCHEMBL15445821 0.93 RIPK1 (0.37) GRM2RIPK1HTR2CHTR2BHTR2A
SCHEMBL9562621 0.93 RIPK1 (0.37) GRM2RIPK1HTR2CHTR2BHTR2A
SCHEMBL9562614 0.93 RIPK1 (0.37) GRM2RIPK1HTR2CHTR2BHTR2A
SCHEMBL9562632 0.93 RIPK1 (0.37) GRM2RIPK1HTR2CHTR2BHTR2A
SCHEMBL13235544 0.92 GRM2 (0.33) GRM2RIPK1HTR2CHTR2BHTR2A
SCHEMBL13235564 0.92 RIPK1 (0.35) GRM2RIPK1HTR2CHTR2BHTR2A
SCHEMBL2885443 0.92 RIPK1 (0.35) GRM2RIPK1HTR2CHTR2BHTR2A
SCHEMBL2882945 0.92 RIPK1 (0.35) GRM2RIPK1HTR2CHTR2BHTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7758931-B2 Chlorofluorobenzene liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2010-07-20 — — US disclosed
US-20090264683-A1 CHLOROFLUOROBENZENE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-10-22 — — US disclosed
US-7569258-B2 Chlorofluorobenzene liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2009-08-04 — — US disclosed
EP-1873134-A1 CHLOROFLUOROBENZENE LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2008-01-02 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264683-A1 CHLOROFLUOROBENZENE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CCND3, CCND1, SLFN12 GRM2 3559/4885RIPK1 1138/4885HTR2C 663/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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